| SpectraBase Compound ID | LwpRSTMMvI4 |
|---|---|
| InChI | InChI=1S/C20H26F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-20(23)19-17(21)14-13-15-18(19)22/h13-15H,2-10,16H2,1H3 |
| InChIKey | DAUUIJNEUYPKOC-UHFFFAOYSA-N |
| Mol Weight | 336.42 g/mol |
| Molecular Formula | C20H26F2O2 |
| Exact Mass | 336.190086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHUtcBDJfdT |
|---|---|
| Name | 2,6-Difluorobenzoic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.190086401 u |
| Formula | C20H26F2O2 |
| InChI | InChI=1S/C20H26F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-20(23)19-17(21)14-13-15-18(19)22/h13-15H,2-10,16H2,1H3 |
| InChIKey | DAUUIJNEUYPKOC-UHFFFAOYSA-N |
| Molecular Weight | 336.423 g/mol |
| SMILES | C(=O)(OCC#CCCCCCCCCCC)C=1C(F)=CC=CC1F |